CHEBI:30748 - 2,4-dichlorobenzoic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2,4-dichlorobenzoic acid ChEBI ID CHEBI:30748 Definition A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 4 are substituted by chloro groups. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:19340, CHEBI:907 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H4Cl2O2 Net Charge 0 Average Mass 191.01086 Monoisotopic Mass 189.95883 InChI InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11) InChIKey ATCRIUVQKHMXSH-UHFFFAOYSA-N SMILES OC(=O)c1ccc(Cl)cc1Cl Metabolite of Species Details Fischerella ambigua (NCBI:txid56108) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 2,4-dichlorobenzoic acid (CHEBI:30748) has functional parent benzoic acid (CHEBI:30746) 2,4-dichlorobenzoic acid (CHEBI:30748) has role bacterial metabolite (CHEBI:76969) 2,4-dichlorobenzoic acid (CHEBI:30748) is a chlorobenzoic acid (CHEBI:23134) 2,4-dichlorobenzoic acid (CHEBI:30748) is a dichlorobenzene (CHEBI:23697) 2,4-dichlorobenzoic acid (CHEBI:30748) is conjugate acid of 2,4-dichlorobenzoate (CHEBI:28995) Incoming 1-(2,4-dichlorobenzoyl)-1H-1,2,3-benzotriazole (CHEBI:75330) has functional parent 2,4-dichlorobenzoic acid (CHEBI:30748) 1-(2,4-dichlorobenzoyl)-1H-benzimidazole (CHEBI:75333) has functional parent 2,4-dichlorobenzoic acid (CHEBI:30748) 2,4-dichlorobenzoyl-CoA (CHEBI:15470) has functional parent 2,4-dichlorobenzoic acid (CHEBI:30748) 2,4-dichlorobenzoate (CHEBI:28995) is conjugate base of 2,4-dichlorobenzoic acid (CHEBI:30748) IUPAC Name 2,4-dichlorobenzoic acid Synonym Source 2,4-Dichlorobenzoic acid KEGG COMPOUND Manual Xref Database C06670 KEGG COMPOUND View more database links Registry Numbers Types Sources 1868192 Beilstein Registry Number Beilstein 1868192 Reaxys Registry Number Reaxys 50-84-0 CAS Registry Number KEGG COMPOUND 50-84-0 CAS Registry Number ChemIDplus 50-84-0 CAS Registry Number NIST Chemistry WebBook 562565 Gmelin Registry Number Gmelin Citation Type Source 15787461 PubMed citation Europe PMC Last Modified 22 October 2014